Experimental and theoretical structural study of ( 3E, 5E)-3,5-bis-(benzylidene)-4-oxopiperidinium mono- and ( 3E, 5E)-3,5-bis-(4- N, N-dialkylammonio)benzylidene)-4-oxopiperidinium trications (original) (raw)

The research investigates the synthesis and structural characteristics of novel (3E, 5E)-3,5-bis-(benzylidene)-4-oxopiperidinium and its derivatives through various spectroscopic and crystallographic methods. The study highlights the biological activity of these compounds, particularly their anti-viral and anti-tumor potential, due to the unique properties of the conjugated systems present. Using Density Functional Theory (DFT), the bindings energies and the hyperpolarizabilities of these compounds were also computed, revealing insights into their electronic properties.